search

lamoureux-lab / TorchProteinLibrary

PyTorch library of layers acting on protein representations
https://lamoureux-lab.github.io/TorchProteinLibrary/
MIT License
116 stars 23 forks source link

python3 and pytorch 0.5 transition #5

Closed lupoglaz closed 5 years ago

lupoglaz commented 6 years ago

Start transition to ATen backend and python 3.6 frontend in a new branch

lupoglaz commented 5 years ago

Plan:

  1. FullAtomModel a. Angles2Coords (done, add standard parameters file) b. Coords2TypedCoords (done) c. CoordsTransform (done) d. PDB2Coords (done, add non-restricted loader)

  2. ReducedModel (done) a. Angles2Backbone (done add omega angles)

  3. RMSD a. RMSD CPU(done) b. RMSD GPU(done)

  4. Volume a. TypedCoords2Volume(done) b. PDB2Volume (deleted) c. VolumeConvolution d. Select (done) e. Volume2Xplor (done)

lupoglaz commented 5 years ago

Transition mostly complete. See UnitTesting issue.